(4E)-2-(4-bromophenyl)-4-[(3-fluorophenyl)methylidene]-1,3-oxazol-5-one

Formula:C16H9NO2BrF Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-2-(4-bromophenyl)-4-[(3-fluorophenyl)methylidene]-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4E)-2-(4-bromophenyl)-4-[(3-fluorophenyl)methylidene]-1,3-oxazol-5-one
MolecularFormula	C16H9NO2BrF
Smiles	O=C1OC(c(cc2)ccc2Br)=N/C1=C/c1cc(F)ccc1
InChI	InChI=1S/C16H9BrFNO2/c17-12-6-4-11(5-7-12)15-19-14(16(20)21-15)9-10-2-1-3-13(18)8-10/h1-9H
InChIK	IPVJEAUXXSDZKI-UHFFFAOYSA-N
TotalMolweight	346.154
Molweight	346.154
MonoisotopicMass	344.980068
CLogP	3.4178
CLogS	-5.067
H Acceptors	3
TotalSurfaceArea	219.93
Relative PSA	0.1571
PolarSurfaceArea	38.66
Druglikeness	-2.2929
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61905
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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